1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine

C13H25F3N2 — CID 83982162

IUPAC1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCCCN1CCCCC1CC(C)NCC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-3-7-18-8-5-4-6-12(18)9-11(2)17-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyPIKSXDYOHUPKTJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.18
Rot. Bonds6

About 1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine

1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 83982162) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound Name1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID83982162
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCCCN1CCCCC1CC(C)NCC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-3-7-18-8-5-4-6-12(18)9-11(2)17-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyPIKSXDYOHUPKTJ-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 83982354
tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
CID 103723920
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62575268
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
1-(1-heptylazepan-2-yl)propan-2-ol
CID 114338882
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
2-(2-chloropropyl)-1-[2-(trifluoromethoxy)ethyl]azepane
CID 112748053
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64566095
N-[2-(2-ethylazepan-1-yl)ethyl]pentan-2-amine
CID 113442007
4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine
CID 104689484

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of 1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 83982162) is 1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for 1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for 1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine is CCCN1CCCCC1CC(C)NCC(F)(F)F.
What is the InChIKey of 1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is PIKSXDYOHUPKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-3-7-18-8-5-4-6-12(18)9-11(2)17-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 266.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpiperidin-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 83982162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).